1,3-Dinitronaphthalene

Structural formula

Business number	0699
Molecular formula	C10H6N2OS4
Molecular weight	218.17
label	dinitronaphthalene, C10H6(NO2)2

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:606-37-1

MDL number:MFCD00003915

EINECS number:210-116-5

RTECS number:QJ4550800

BRN number:None

PubChem number:24847821

Physical property data

1. Characteristics: Yellow needle-shaped crystals.

2. Density (g/mL,25℃） : Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC):144- 145

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC, kPa):Undetermined

7. Refractive index (_D²⁰)：Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Soluble in alcohol, insoluble in water. Can be sublimated.

Toxicological data

Ecological data

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

1、 Molar refractive index:57.18

2, Molar volume (m³/mol):147.2

3、 Isotonic specific volume (90.2K):422.0

4、 Surface tension (dyne/cm):67.5

5, Polarizability (10^-24cm³ ):22.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 91.6

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 296

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

can be sublimated. Irritating. Flammable.

Storage method

Should be sealed and stored in a cool place.

Synthesis method

Obtained from naphthalene through mixed acid nitration, acid separation, dehydration and drying. Also available byα-Preparation of nitronaphthalene, α-Nitronaphthalene is dissolved in sulfuric acid, add nitric acid in 80-90℃Nitrification produces dinitronaphthalene.

Purpose

Used as a sensitizer for ammonium nitrate explosives (the actual product is a mixture of isomers), carbide additives, and intermediates for sulfur dyes and organic synthesis.

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